QSAR-Co-X

Read the instruction manual carefully. Note that a new version of QSAR-Co-X is available at https://github.com/ncordeirfcup/QSAR_Co_X_v2

Citation:

Halder, A.K., Cordeiro, M.N.D.S. QSAR-Co-X: an open source toolkit for multitarget QSAR modelling. Journal of Cheminformatics, 13, 29 (2021). https://doi.org/10.1186/s13321-021-00508-0

Contact:

[email protected]

Name		Name	Last commit message	Last commit date
Latest commit History 67 Commits
Data1.csv		Data1.csv
Data2.csv		Data2.csv
Data3.csv		Data3.csv
GNU GENERAL PUBLIC LICENSE.txt		GNU GENERAL PUBLIC LICENSE.txt
Instruction Manual QSAR-Co-X.pdf		Instruction Manual QSAR-Co-X.pdf
Module1.py		Module1.py
Module2.py		Module2.py
Module3.py		Module3.py
Module4.py		Module4.py
README.md		README.md
applicability.py		applicability.py
boxjenk.py		boxjenk.py
boxjenk2.py		boxjenk2.py
boxjenk3.py		boxjenk3.py
boxjenk4.py		boxjenk4.py
checkdata.py		checkdata.py
cross_validation.py		cross_validation.py
grid_gb.csv		grid_gb.csv
grid_knn.csv		grid_knn.csv
grid_mlp.csv		grid_mlp.csv
grid_nb.csv		grid_nb.csv
grid_rf.csv		grid_rf.csv
grid_svc.csv		grid_svc.csv
kmca.py		kmca.py
requirements.txt		requirements.txt
sequential_selection.py		sequential_selection.py
stepwise_selection.py		stepwise_selection.py
testset_prediction.py		testset_prediction.py
ycr1.py		ycr1.py

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Repository files navigation

QSAR-Co-X

Citation:

Contact:

About

Releases

Packages

Contributors 2

Languages

ncordeirfcup/QSAR-Co-X

Folders and files

Latest commit

History

Repository files navigation

QSAR-Co-X

Citation:

Contact:

About

Resources

Stars

Watchers

Forks

Releases

Packages 0

Contributors 2

Languages

Packages